Nature of problem:In atomic structure calculations with configuration interaction, one
has to evaluate the matrix of the hamiltonian with respect to a basis
set of configuration wave functions. For configurations with several
open shells, the calculation of the matrix elements becomes cumbersome.
A general program, which calculates the two-body part of the
hamiltonian, already exists. We submit a program, which calculates the
one-body spin-orbit interaction.

Solution method:The coefficients of the spin-orbit radial integrals are obtained by
integration over the coordinates of N-1 spectator electrons and the
angular coordinates of the interacting electron of an N-electron atom.
We used the scheme of Fano in analogy to a one-particle operator, using
techniques of Racah and Briggs. We modified the program of Hibbert and
used some of his subroutines. The coefficients are expressed as sums
over cfp-coefficients, recoupling coefficients and reduced matrix e
elements. The configurations are defined by thier occupied nl-shells
and their numbers of electrons. The coupling schemes are defined by the
S, L-values of the shells and their intermediate couplings.

Restrictions:Only configurations with any number of electrons in s-, p- and d-shells
are allowed, but no more than two electrons in any shell of higher
orbital momentum. The submitted version allows up to 3 different
configurations, 10 occupied shells and 60 coupling schemes in each
configuration.

Unusual features:A punch option is provided, but a punch subroutine has to be written by
the user according to his individual problems.

Running time:The running time of the test run is 8.2 s on a CDC 6600 during which 64
matrix elements are calculated.

Nature of problem:This adaptation is a generalization of the program SPINORBITWEIGHTS and
calculates the reduced matrix elements of a general tensor operator
which may be written as a sum of N one-particle tensor operators as
defined exactly by Armstrong and Feneuille. The operator is a "spin x
orbital" tensor product with rank 'k' in the spin-space and rank k in
the orbital space. The matrix elements will be calculated to the same
basis set of configuration wave functions as described in the early
code. With the use of this program any one-particle interaction in an
N-electron atom, like multipole radiation or hyperfine structure
interactions, may be calculated in a very efficient way.

Restrictions:The program is restricted to configurations with any number of s-, p-
and d-electrons, but no more than two electrons in any shell of higher
orbital angular momentum. The wave functions are restricted to pure LS-
coupling.

Running time:The execution time for the test run is 13.6 s. During that time 165
matrix elements are calculated.